| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-ethyl-amino]ethanol 2-[[(1S)-2-amino-1-(3-methyl-2-t…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.75 | 0.28 | -45.59 | 4 | 3 | 1 | 51 | 229.369 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 1.64 | -28.23 | 4 | 3 | 1 | 51 | 229.369 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | -0.05 | -3.76 | 3 | 3 | 0 | 49 | 228.361 | 6 | ↓ |
